Summary

IMPPAT Phytochemical identifier: IMPHY006595

Phytochemical name: 1-(5-Methyl-2-furanyl)-1,2-propanedione

Synonymous chemical names:
1-(5-methyl-2-furyl)-propane-1,2-dione, 1-(5-methyl-2-furyl)-propoane-1,2-dione, propane-1,2-dione, 1-(5-methyl-2-furyl)

External chemical identifiers:
CID:70968, ChEBI:173649, FDASRS:1R75B93FCI, SureChEMBL:SCHEMBL11539386

---

Chemical structure information

SMILES:
Cc1ccc(o1)C(=O)C(=O)C

InChI:
InChI=1S/C8H8O3/c1-5-3-4-7(11-5)8(10)6(2)9/h3-4H,1-2H3

InChIKey:
CSILYJHAPLAXTQ-UHFFFAOYSA-N

DeepSMILES:
Ccccco5)C=O)C=O)C

Functional groups:
cC(=O)C(C)=O, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Polyketides

NP Classifier Superclass: Cyclic polyketides

NP Classifier Class: Furans

NP-Likeness score: -0.585

---

Chemical structure download